76
Coordinates from ORCA-job /scratch/magstr/orcajob__5668079-NJW3/orca
  N   -3.24679120004322     -3.04803918162923      2.27036615792392
  C   -2.99953607558365     -3.98039611522290      1.16536173222933
  C   -2.04988019699272     -5.09922522602412      1.59643727635887
  N   -2.55844450924371     -5.80683023112102      2.81438892960561
  C   -3.78339210802533     -6.60117030170684      2.43705541737980
  C   -4.94196702323542     -6.19054873081784      3.32151337732144
  N   -5.00304926784793     -4.74056231803521      3.36248536524684
  Mo  -3.03314086512582     -4.06391716575261      4.17919189605731
  N   -2.10607027762662     -5.54999031631831      5.51855379030023
  C   -1.00009380448786     -6.13608749033789      4.76889022568020
  C   -1.52636370381969     -6.69162320542782      3.45311284353085
  H   -0.52535796727903     -6.97146098860109      5.30469504043447
  H   -0.23318801329055     -5.35953349885032      4.59133085630917
  H   -2.00750337352817     -7.65451324877923      3.65943224019531
  H   -0.70344390746268     -6.87308846977272      2.74614080683322
  H   -5.87400365696471     -6.64896434635433      2.96787592159582
  H   -4.76868976219414     -6.55068919167057      4.35359289554036
  H   -4.04808323828452     -6.38496726873282      1.39934693271866
  H   -3.56447958889951     -7.67307327554624      2.52112152835341
  H   -2.53168702874837     -3.47420766967583      0.30806793842017
  H   -3.95641152743756     -4.40666309638110      0.81969285086851
  H   -1.06152021942793     -4.69001595867839      1.83876637113162
  H   -1.94088344301329     -5.82223046813814      0.77085570262963
  C   -3.44919489972736     -1.75975679832118      2.03907669195780
  C   -3.62257700998191     -1.24198461659518      0.70498907857252
  C   -3.74727462333041      0.09631785653611      0.43015735012076
  C   -4.04024081766591      0.47824878454831     -0.98804667813328
  O   -3.65712424706926     -0.18356281101845     -1.93942363518602
  C   -3.71067837216240      1.06533725707272      1.49249357961699
  C   -3.68815628016235      2.50629515828759      1.25878045022231
  O   -3.56249411332962      3.04490009714696      0.16266901065337
  C   -3.61809029266486      0.59882789902885      2.78995291513454
  C   -3.50787061112889     -0.77370545577346      3.11917801041368
  C   -3.50655113124096     -1.05468663026124      4.50884686987733
  O   -3.51861576163365     -2.17589088502622      5.09966238450102
  C   -6.11182186198374     -4.06770364446458      3.00568109146044
  C   -6.32801705455561     -2.78046604661777      3.57976364483488
  C   -7.50749431012825     -2.06245034354213      3.46096213829601
  C   -7.49834835153321     -0.76465182652483      4.17790142054191
  O   -8.38862124394275      0.06923867333101      4.21875943528667
  C   -8.60463011543118     -2.60372764127730      2.71769984875328
  C   -9.92119828843036     -1.96116836540338      2.56418798324154
  O   -10.85334593252485     -2.47636370604119      1.94709145182954
  C   -8.37693614392538     -3.81573142165605      2.07053192695328
  C   -7.16808364673043     -4.52844569790183      2.12011552301119
  C   -7.04373857947705     -5.51798115165889      1.05142672844200
  O   -6.01125998762498     -6.01829093970781      0.60280604679388
  C   -2.02278700751746     -5.52671074653227      6.86040274530223
  C   -0.87025976737235     -5.97507975905229      7.58432913681359
  C   -0.80611241457418     -5.98250509680523      8.96263465973262
  C   0.43435364556271     -6.55538009011952      9.57740960433272
  O   1.51227544801882     -6.55761055821147      9.00402862456639
  C   -1.91752899019811     -5.53875976363053      9.74935879712896
  C   -1.89932562145941     -5.42325443097251     11.20767259084122
  O   -0.91819779664092     -5.56626364252895     11.93000700310087
  C   -3.05121210320067     -5.10815398891712      9.07289866765468
  C   -3.12750890930190     -5.06146692219292      7.67059949661242
  C   -4.33732663719652     -4.56921597349114      7.10176679795662
  O   -4.55162490574149     -4.34444143554394      5.89016167831532
  H   -3.71361846788918     -1.93094118549623     -0.13320977417044
  H   -4.67211208731904      1.37985218622357     -1.12492329231689
  H   -3.77223492663629      3.12168506590526      2.18893603025665
  H   -3.61906701759902      1.32257480192449      3.61064928160013
  H   -3.55020725277134     -0.17281221584219      5.17161327292590
  H   -5.55568832755486     -2.38861615206797      4.23521303995512
  H   -6.53273923927360     -0.58069059215362      4.71682250128729
  H   -10.03594231899660     -0.96741974974908      3.04133094502140
  H   -9.18008821029601     -4.19672468180200      1.43245643997184
  H   -8.02129218360406     -5.74375670754808      0.56038864448595
  H   0.01732627132697     -6.31824705293051      7.05573487737399
  H   0.30859494426135     -7.01763816021644     10.57750994778481
  H   -2.89475652049765     -5.16372364779760     11.64838112953345
  H   -3.91313421228215     -4.75689800791804      9.64900591858883
  H   -5.16819720875354     -4.36985637356300      7.80724179663990
  N   -1.41539220987130     -3.39914714382094      3.98234938923905
  H   -0.80010053767352     -2.79941095573446      3.42461368560416
